Compound Identification
SMILES
COC(=O)C1=CC=C(C=C1)[C@H]1N[C@H](CC2=C1NC1=CC=CC=C21)C(O)=O
InChIKey
InChIKey=LGZGOHXTBJSWFV-IAGOWNOFSA-N
Formula
C20H18N2O4
Mass
350.374
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Alkaloids and derivatives
- Class Harmala alkaloids
-
Superclass
Alkaloids and derivatives
Kingdom
Organic compounds
Superclass
Alkaloids and derivatives
Class
Harmala alkaloids
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Harmala alkaloids
Alternative Parents
Beta carbolines 3-alkylindoles Benzoic acid esters D-alpha-amino acids Benzoyl derivatives Aralkylamines Dicarboxylic acids and derivatives Heteroaromatic compounds Pyrroles Methyl esters Amino acids Dialkylamines Carboxylic acids Azacyclic compounds Hydrocarbon derivatives Carbonyl compounds Organic oxides Organopnictogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Harman - Beta-carboline - Pyridoindole - Alpha-amino acid - Alpha-amino acid or derivatives - Benzoate ester - D-alpha-amino acid - 3-alkylindole - Benzoic acid or derivatives - Indole - Indole or derivatives - Benzoyl - Aralkylamine - Benzenoid - Monocyclic benzene moiety - Dicarboxylic acid or derivatives - Methyl ester - Pyrrole - Heteroaromatic compound - Amino acid or derivatives - Carboxylic acid ester - Amino acid - Secondary amine - Organoheterocyclic compound - Azacycle - Secondary aliphatic amine - Carboxylic acid - Carboxylic acid derivative - Organooxygen compound - Hydrocarbon derivative - Carbonyl group - Organic oxide - Organopnictogen compound - Organic nitrogen compound - Organonitrogen compound - Amine - Organic oxygen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as harmala alkaloids. These are compounds with a structure based on harmaline, harmine, harmalol, harman or a derivative of those parents. These parents are beta-carbolines, consisting of a pyrimidine fused to the pyrrole moiety of an indole to form a pyrido[3,4-b]indole.
External Descriptors
Not available